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I.B.3. (II.A.2.)

All data (experiment and calculated) in the CCCBDB for GeH (germylidene)


An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Enthalpy 298.15K enthalpy of formation      
Enthalpy 0K enthalpy of formation      
Energy 0K   256  
Energy 298.15K   3  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy  0 
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity  0 
Heat Capacity (Cp) Heat capacity  0 
Nuclear Repulsion Energy   255  
HOMO-LUMO Energies HOMO energies   227  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x235  
Internal Coordinates bond lengths bond angles x235x
Products of moments of inertia moments of inertia x229x
Rotational Constants rotational constants x234x
Point Group  256 
Vibrations Vibrational Frequencies vibrations x233x
Vibrational Intensities  203 
Zero-point energies x233x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   124  
Dipole dipole  124 
Quadrupole quadrupole  121 
Polarizability polarizability  107 
Other results Spin   254  
Number of basis functions   24  
Diagnostics   0  
Conformations   1